[2-(3-ethylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-ethylpyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-ethylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-ethyl-1-pyridin-1-iumyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-ethylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-ethylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C9H16NO7P2+ MolecularWeight: 312.173362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC1=C[N+](=CC=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H15NO7P2/c1-2-8-4-3-5-10(6-8)7-9(11,18(12,13)14)19(15,16)17/h3-6,11H,2,7H2,1H3,(H3-,12,13,14,15,16,17)/p+1